SCHEMBL6512558

SCHEMBL6512558

Nc1nc(-c2ccccc2)cc(N2CC(NC(=O)O)C2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HRH4 Q9H3N8 2/20 0.54
HTR3A P46098 1/20 0.54
PDPK1 O15530 6/20 0.48
AURKA O14965 5/20 0.48
AURKB Q96GD4 5/20 0.48
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SCN2A Q99250 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL605428 0.83 HRH4 (0.61) LMNAUSP2TSHRHTTHSD17B10
Hydrochloric Acid SCHEMBL6512235 0.82 HRH3 (0.63) LMNAUSP2TSHRHTTHSD17B10
SCHEMBL6510066 0.82 LMNA (0.53) LMNAUSP2TSHRHTTHSD17B10
SCHEMBL3196818 0.79 LMNA (0.56) LMNAHRH4HRH3KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6508476 0.79 LMNA (0.65) LMNAUSP2TSHRHTTHSD17B10
SCHEMBL6510068 0.78 HRH4 (0.55) LMNAUSP2TSHRHTTHSD17B10
SCHEMBL3997222 0.78 HRH4 (0.64) HRH4HRH3
SCHEMBL3210909 0.77 HRH4 (0.62) HRH4HRH3
SCHEMBL10567412 0.76 HRH4 (0.85) LMNAUSP2TSHRHTTHSD17B10
SCHEMBL6023051 0.76 USP2 (0.52) LMNAUSP2TSHRHTTHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005054239-A1 2-AMINOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-06-16 WO disclosed